Geometry & MOs

Info

ID:	421816
PubChem CID:	135116658
Reduced:	ClON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	7.47
Dipole, Da:	3.61
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(4-phenoxybutanoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)CC(=O)NCCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations